SCHEMBL3711023

SCHEMBL3711023

CC(C)COC(=O)N1CCC(Oc2c(Br)ccc3cccnc23)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.42
GAA P10253 1/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
ALOX12 P18054 1/20 0.40
MPI P34949 1/20 0.40
ESR2 Q92731 1/20 0.40
HRH1 P35367 1/20 0.39
SLC6A15 Q9H2J7 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PIK3CD O00329 1/20 0.39
NOS2 P35228 1/20 0.38
LNPEP Q9UIQ6 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3712949 0.89 GPR119 (0.44) GPR119GAAATMALDH1A1KDM4E
SCHEMBL3711022 0.83 GPR119 (0.48) GPR119KDM4E
SCHEMBL3720714 0.83 GPR119 (0.47) GPR119ALDH1A1KDM4ETLR9TLR8
SCHEMBL3651433 0.82 HRH1 (0.44) GPR119HRH1
SCHEMBL18318910 0.79 GPR119 (0.45) GPR119GAAATMALDH1A1KDM4E
SCHEMBL3708950 0.79 GPR119 (0.45) GPR119HRH1
SCHEMBL3709889 0.79 GPR119 (0.45) GPR119TLR9TLR8TLR7HRH1
Hydrochloric Acid SCHEMBL18318133 0.78 GPR119 (0.44) GPR119GAAATMALDH1A1KDM4E
SCHEMBL3648875 0.78 HRH1 (0.46) GPR119HRH1SLC6A15
SCHEMBL3711292 0.77 HRH1 (0.51) HRH1CYP3A4CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010094643-A1 QUINOLINE DERIVATIVES AND THEIR USES FOR RHINITIS AND URTICARIA GLAXO GROUP LIMITED (GB) 2010-08-26 WO disclosed